1.0 2016-09-30 22:42:55 UTC 2020-04-22 15:07:15 UTC BMDB0001241 BMDB01241 2-Aminomuconic acid (2Z,4E)-2-Amino-2,4-hexadienedioic acid cis,trans-2-Aminomuconic acid O-Aminomuconate (2E,4Z)-2-Aminohexa-2,4-dienedioate (2E,4Z)-2-Aminohexa-2,4-dienedioic acid (2Z,4E)-2-Amino-2,4-hexadienedioate cis,trans-2-Aminomuconate O-Aminomuconic acid 2-Aminomuconate 2-Aminohexa-2,4-dienedioate 2-Aminohexa-2,4-dienedioic acid 2-Amino-muconate C6H7NO4 157.1241 157.037507717 (2Z,4E)-5-aminohexa-2,4-dienedioic acid 2-aminomuconate semialdehyde N\C(=C\C=C/C(O)=O)C(O)=O InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)/b3-1-,4-2+ ZRHONLCTYUYMIQ-HSFFGMMNSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids Amino acids Amino fatty acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Enamines Hydrocarbon derivatives Medium-chain fatty acids Monoalkylamines Organic oxides Organopnictogen compounds Unsaturated fatty acids Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Amino fatty acid Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Enamine Fatty acid Fatty acyl Hydrocarbon derivative Medium-chain fatty acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Unsaturated fatty acid Aliphatic acyclic compounds non-proteinogenic alpha-amino acid Solid logp -0.05 ALOGPS logs -1.76 ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 2.58 ChemAxon pka_strongest_basic 8.37 ChemAxon iupac (2Z,4E)-5-aminohexa-2,4-dienedioic acid ChemAxon average_mass 157.1241 ChemAxon mono_mass 157.037507717 ChemAxon smiles N\C(=C\C=C/C(O)=O)C(O)=O ChemAxon formula C6H7NO4 ChemAxon inchi InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)/b3-1-,4-2+ ChemAxon inchikey ZRHONLCTYUYMIQ-HSFFGMMNSA-N ChemAxon polar_surface_area 100.62 ChemAxon refractivity 38.55 ChemAxon polarizability 14.02 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 1150 Specdb::MsIr 1151 Specdb::MsIr 1152 Specdb::MsMs 294973 Specdb::MsMs 294974 Specdb::MsMs 294975 Specdb::MsMs 335863 Specdb::MsMs 335864 Specdb::MsMs 335865 Specdb::MsMs 2729200 Specdb::MsMs 2729201 Specdb::MsMs 2729202 Specdb::MsMs 2980052 Specdb::MsMs 2980053 Specdb::MsMs 2980054 Specdb::CMs 13183 Specdb::CMs 37989 Specdb::CMs 170145 Specdb::NmrOneD 146890 Specdb::NmrOneD 146891 Specdb::NmrOneD 146892 Specdb::NmrOneD 146893 Specdb::NmrOneD 146894 Specdb::NmrOneD 146895 Specdb::NmrOneD 146896 Specdb::NmrOneD 146897 Specdb::NmrOneD 146898 Specdb::NmrOneD 146899 Specdb::NmrOneD 146900 Specdb::NmrOneD 146901 Specdb::NmrOneD 146902 Specdb::NmrOneD 146903 Specdb::NmrOneD 146904 Specdb::NmrOneD 146905 Specdb::NmrOneD 146906 Specdb::NmrOneD 146907 Specdb::NmrOneD 146908 Specdb::NmrOneD 146909 5459864 4573610 2-Aminomuconic acid 189697 C02220 He, Z.; Spain, J. C. Preparation of 2-aminomuconate from 2-aminophenol by coupled enzymatic dioxygenation and dehydrogenation reactions. Journal of Industrial Microbiology & Biotechnology (1999), 23(2), 138-142.